ChemSpider 2D Image | 3-{[(1E)-1-Carboxy-3-methyl-1-buten-1-yl]oxy}-2-hydroxybenzoic acid | C13H14O6

3-{[(1E)-1-Carboxy-3-methyl-1-buten-1-yl]oxy}-2-hydroxybenzoic acid

  • Molecular FormulaC13H14O6
  • Average mass266.247 Da
  • Monoisotopic mass266.079041 Da
  • ChemSpider ID34542526

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3-{[(1E)-1-Carboxy-3-methyl-1-buten-1-yl]oxy}-2-hydroxybenzoesäure [German] [ACD/IUPAC Name]
3-{[(1E)-1-Carboxy-3-methyl-1-buten-1-yl]oxy}-2-hydroxybenzoic acid [ACD/IUPAC Name]
Acide 3-{[(1E)-1-carboxy-3-méthyl-1-butén-1-yl]oxy}-2-hydroxybenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[(1E)-1-carboxy-3-methyl-1-buten-1-yl]oxy]-2-hydroxy- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 475.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.8±3.0 kJ/mol
Flash Point: 181.6±22.2 °C
Index of Refraction: 1.594
Molar Refractivity: 66.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.05
ACD/LogD (pH 5.5): -1.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 104 Å2
Polarizability: 26.3±0.5 10-24cm3
Surface Tension: 59.5±3.0 dyne/cm
Molar Volume: 195.3±3.0 cm3

Click to predict properties on the Chemicalize site


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